VYM
(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone
Created: | 2020-09-22 |
Last modified: | 2020-12-09 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone |
Systematic Name (OpenEye OEToolkits) | (7-azanyl-3,4-dihydro-2~{H}-quinolin-1-yl)-cyclopropyl-methanone |
Formula | C13 H16 N2 O |
Molecular Weight | 216.279 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C1CC1)(=O)N3CCCc2ccc(cc23)N |
SMILES | CACTVS | 3.385 | Nc1ccc2CCCN(C(=O)C3CC3)c2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)N(CCC2)C(=O)C3CC3 |
Canonical SMILES | CACTVS | 3.385 | Nc1ccc2CCCN(C(=O)C3CC3)c2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)N(CCC2)C(=O)C3CC3 |
InChI | InChI | 1.03 | InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2 |
InChIKey | InChI | 1.03 | ZNDAWHMDCROZJT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 16642539 |
ChEMBL | CHEMBL3356573 |